6-nitro-1,3-diphenyl-3a,8b-dihydro-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide

Systemtic Name: 6-nitro-1,3-diphenyl-3a,8b-dihydro-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide Openeye Name: 6-nitro-1,3-diphenyl-3a,8b-dihydrobenzothiopheno[3,2-c]pyrazole 4,4-dioxide CAS Name: 6-nitro-1,3-diphenyl-3a,8b-dihydro-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide IUPAC Name: 6-nitro-1,3-diphenyl-3a,8b-dihydro-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide Traditional Name: 6-nitro-1,3-diphenyl-3a,8b-dihydrobenzothiopheno[3,2-c]pyrazole 4,4-dioxide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C3C2S(=O)(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C3C2S(=O)(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C21H15N3O4S/c25-24(26)16-11-12-17-18(13-16)29(27,28)21-19(14-7-3-1-4-8-14)22-23(20(17)21)15-9-5-2-6-10-15/h1-13,20-21H